tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate

C12H15F3N2O3 — CID 162534713

IUPACtert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(O)c(C(F)(F)F)cc1N
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(19)17-8-5-9(18)6(4-7(8)16)12(13,14)15/h4-5,18H,16H2,1-3H3,(H,17,19)
InChIKeyYUFOBSNNIFIQLU-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate (PubChem CID 162534713) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate
PubChem CID162534713
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Nametert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(O)c(C(F)(F)F)cc1N
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(19)17-8-5-9(18)6(4-7(8)16)12(13,14)15/h4-5,18H,16H2,1-3H3,(H,17,19)
InChIKeyYUFOBSNNIFIQLU-UHFFFAOYSA-N
XLogP3.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-amino-5-ethoxy-4-(trifluoromethyl)phenyl]carbamate
CID 67361421
tert-butyl N-[2-amino-5-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]carbamate
CID 69486686
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69487918
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]carbamate
CID 91756947
tert-butyl N-[2-amino-3-chloro-5-(trifluoromethyl)phenyl]carbamate
CID 54307366
tert-butyl N-[6-bromo-2-methyl-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169136684
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate (CID 162534713) is tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(O)c(C(F)(F)F)cc1N.
What is the InChIKey of tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is YUFOBSNNIFIQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(19)17-8-5-9(18)6(4-7(8)16)12(13,14)15/h4-5,18H,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 292.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-5-hydroxy-4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 162534713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).